NN-xTB: density functional accuracy at semi empirical speed with neural network extended tight binding

Journal:
Nature Communications
Published:
DOI:
10.1038/s41467-026-73184-z
Affiliations:
3
Authors:
4
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Institutions Authors Share
QDX Technologies - Australia, Australia
3.333333
 0.83
Monash University, Australia
0.333333
 0.08
Australian National University (ANU), Australia
0.333333
 0.08
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